1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid

C15H26O4 — CID 175025546

IUPAC1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid
SMILESCCC(CC)OC(=O)C1(C)CCCCC1(C)C(=O)O
InChIInChI=1S/C15H26O4/c1-5-11(6-2)19-13(18)15(4)10-8-7-9-14(15,3)12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyJCSLARALTICYEJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.39
Rot. Bonds5

About 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid

1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid (PubChem CID 175025546) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid
PubChem CID175025546
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid
SMILESCCC(CC)OC(=O)C1(C)CCCCC1(C)C(=O)O
InChIInChI=1S/C15H26O4/c1-5-11(6-2)19-13(18)15(4)10-8-7-9-14(15,3)12(16)17/h11H,5-10H2,1-4H3,(H,16,17)
InChIKeyJCSLARALTICYEJ-UHFFFAOYSA-N
XLogP3.39
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-2-ethoxycarbonyl-1,2-dimethylcyclohexane-1-carboxylic acid
CID 175835686
8a-ethoxycarbonyl-1,2,3,4,5,6,7,8-octahydronaphthalene-4a-carboxylic acid
CID 12859727
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
2-pentan-3-yloxycarbonylcyclohexene-1-carboxylic acid
CID 175023573
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
2-methylpentan-3-yl 1-methylcyclohexane-1-carboxylate
CID 129191712
1,2-dimethyl-2-pentylcyclopentane-1-carboxylic acid
CID 175391095
1-(1-hydroxyethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 175054527
(E)-3-methyl-4-oxo-4-pentan-3-yloxybut-2-enoic acid
CID 139892068
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate
CID 115353388
1-[butan-2-yl(methyl)amino]cyclopentane-1-carboxylic acid
CID 82238455
1-aminocyclopentane-1-carboxylic acid;2-amino-3-methylpentanoic acid
CID 174561878

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid (CID 175025546) is 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid is CCC(CC)OC(=O)C1(C)CCCCC1(C)C(=O)O.
What is the InChIKey of 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid?
The InChIKey is JCSLARALTICYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-5-11(6-2)19-13(18)15(4)10-8-7-9-14(15,3)12(16)17/h11H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid?
1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-pentan-3-yloxycarbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 175025546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).